N-(Phenylmethyl)guanidine
TL;DR: N-(Phenylmethyl)guanidine (CAS 2211-57-6) is a chemical compound with molecular formula C8H11N3 and molecular weight 149.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylguanidine
Also Known As: 1-Benzylguanidine, N-Benzylguanidine, Benzylguanidine, N-Benzoguanidine, 2-benzylguanidine
| Molecular Formula | C8H11N3 |
|---|---|
| Molecular Weight | 149.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.09529 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 2211-57-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN=C(N)N |
| InChIKey | ABSNGNUGFQIDDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Phenylmethyl)guanidine (CAS 2211-57-6), with molecular formula C8H11N3 and molecular weight 149.10 g/mol. IUPAC: 2-benzylguanidine.
Chemical Property Profile of N-(Phenylmethyl)guanidine
Property Insights of N-(Phenylmethyl)guanidine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Phenylmethyl)guanidine. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Phenylmethyl)guanidine. Following Lipinski's Rule of Five, N-(Phenylmethyl)guanidine has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(Phenylmethyl)guanidine?
The CAS number of N-(Phenylmethyl)guanidine is 2211-57-6.
What is the molecular formula of N-(Phenylmethyl)guanidine?
The molecular formula of N-(Phenylmethyl)guanidine is C8H11N3.
What is the molecular weight of N-(Phenylmethyl)guanidine?
The molecular weight of N-(Phenylmethyl)guanidine is 149.10 g/mol.
Where can I buy N-(Phenylmethyl)guanidine?
You can request a quote for N-(Phenylmethyl)guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Phenylmethyl)guanidine?
Yes, KEHONG BIO provides custom synthesis services for N-(Phenylmethyl)guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.